BDBM92097 erk000527

SMILES Cc1cnc(Nc2cccc(O)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key InChIKey=IEPDIUMESWVCJC-OAQYLSRUSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 92097   

TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92097(erk000527)
Show SMILES Cc1cnc(Nc2cccc(O)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H25N5O3/c1-15-12-27-25(29-19-9-6-10-22(32)16(19)2)30-23(15)18-11-20(26-13-18)24(33)28-21(14-31)17-7-4-3-5-8-17/h3-13,21,26,31-32H,14H2,1-2H3,(H,28,33)(H,27,29,30)/t21-/m1/s1
Affinity DataKi:  3nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92097(erk000527)
Show SMILES Cc1cnc(Nc2cccc(O)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H25N5O3/c1-15-12-27-25(29-19-9-6-10-22(32)16(19)2)30-23(15)18-11-20(26-13-18)24(33)28-21(14-31)17-7-4-3-5-8-17/h3-13,21,26,31-32H,14H2,1-2H3,(H,28,33)(H,27,29,30)/t21-/m1/s1
Affinity DataKi:  3nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed